Chemical Properties of 5-«alpha»-Androstan-3-«beta»,16-«alpha»-diol, HFB

5-«alpha»-Androstan-3-«beta»,16-«alpha»-diol, HFB

InChI
InChI=1S/C27H30F14O4/c1-20-7-6-16-15(17(20)10-14(11-20)45-19(43)23(30,31)25(34,35)27(39,40)41)4-3-12-9-13(5-8-21(12,16)2)44-18(42)22(28,29)24(32,33)26(36,37)38/h12-17H,3-11H2,1-2H3/t12-,13-,14+,15?,16?,17?,20+,21-/m1/s1
InChI Key
UVWRFIUMLDHHGH-SPZQWNDZSA-N
Formula
C27H30F14O4
SMILES
CC12CCC3C(CCC4CC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC43C)C1CC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C2
Molecular Weight1
684.50
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Physical Properties

Property Value Unit Source
ΔfusH° 46.79 kJ/mol Joback Calculated Property
logPoct/wat 8.519 Crippen Calculated Property
McVol 387.510 ml/mol McGowan Calculated Property
Inp [2430.00; 2444.00]   Show Hide
Inp 2444.00 NIST
Inp 2430.00 NIST
Inp 2444.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [599.92; 1505.44] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.35200e+02
Coefficient B4.41264e+00
Coefficient C-4.00860e-03
Coefficient D1.43660e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 599.92 J/mol×K 273.00 Calculated Property
Cp,gas 787.79 J/mol×K 353.78 Calculated Property
Cp,gas 943.25 J/mol×K 434.56 Calculated Property
Cp,gas 1070.83 J/mol×K 515.33 Calculated Property
Cp,gas 1175.08 J/mol×K 596.11 Calculated Property
Cp,gas 1260.55 J/mol×K 676.89 Calculated Property
Cp,gas 1331.78 J/mol×K 757.67 Calculated Property
Cp,gas 1393.31 J/mol×K 838.44 Calculated Property
Cp,gas 1449.68 J/mol×K 919.22 Calculated Property
Cp,gas 1505.44 J/mol×K 1000.00 Calculated Property

Similar Compounds

5-«alpha»-Androstan-3-«beta»,16-«beta»-diol, HFB. 5-«beta»-Androstan-3-«beta»,17-«beta»-diol, HFB. 5-«alpha»-Androstan-3-«alpha»,17-«alpha»-diol, HFB. 5-«alpha»-Androstan-3-«beta»,17-«alpha»-diol, HFB. 5-«beta»-Androstan-3-«alpha»,17-«beta»-diol, HFB. 5-«beta»-Androstan-3-«alpha»,17-«alpha»-diol, HFB. 5-«alpha»-Androstan-3-«alpha»,17-«beta»-diol, HFB. 5-«alpha»-Androstan-3-«beta»,17-«beta»-diol, HFB. 5-«beta»-Androstan-3-«beta»,17-«alpha»-diol, HFB. 5-«beta»-Pregnan-3-«alpha»,20-«beta»-diol, HFB. 5-«beta»-Pregnan-3-«beta»,20-«alpha»-diol, HFB. 5-«alpha»-Pregnan-3-«alpha»,20-«beta»-diol, HFB. 5-«alpha»-Pregnan-3-«beta»,20-«beta»-diol, HFB. 5-«alpha»-Pregnan-3-«alpha»,20-«alpha»-diol, HFB. 5-«alpha»-Pregnan-3-«beta»,20-«alpha»-diol, HFB.

Find more compounds similar to 5-«alpha»-Androstan-3-«beta»,16-«alpha»-diol, HFB.

Sources

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